%chk=000180851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180851

0 1
Br 0.556179 3.075128 0.784424
Cl 7.428980 -1.376593 2.553958
S 5.104501 0.303852 -0.806798
F 4.914145 -0.063197 1.780276
F 5.247032 -1.838121 0.697442
F 7.855643 -0.921978 0.056892
F -5.804831 1.574458 -1.695795
F -5.297178 -1.783146 1.536388
O 5.684590 1.619904 -0.658139
O 5.473085 -0.560315 -1.894269
O -1.458498 -1.353491 -1.278565
O -4.239524 -1.437913 -1.710327
N -0.796159 0.660613 -0.307590
N -3.084328 0.019398 -0.317269
C 3.398291 0.388053 -0.665965
C 5.635687 -0.547720 0.743409
C 2.799008 1.518361 -0.095137
C 2.599897 -0.661091 -1.149826
C 7.121227 -0.417986 1.083571
C 0.597873 0.516149 -0.464475
C 1.415222 1.577351 0.007614
C 1.214575 -0.607475 -1.051135
C -1.753631 -0.335935 -0.705235
C -5.486936 -0.136418 -0.123365
C -4.262864 -0.629472 -0.826599
C -6.249445 0.931753 -0.621273
C -5.989851 -0.773694 1.021767
C -7.440691 1.357315 -0.029678
C -7.176198 -0.384863 1.648883
C -7.899048 0.683551 1.107919
H 3.417849 2.354506 0.262644
H 3.070097 -1.535625 -1.621723
H 7.449420 0.641693 1.250954
H 0.604613 -1.437093 -1.436798
H -1.146907 1.548779 0.080154
H -3.218492 0.760238 0.378700
H -8.008215 2.190038 -0.448501
H -7.537481 -0.907585 2.536286
H -8.834035 0.996970 1.580481


%chk=000180851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180851

0 1
Br 0.531226 2.041453 2.270821
Cl 8.061092 -1.917682 1.977290
S 5.177674 0.644000 -0.715490
F 5.079004 -1.082906 1.498636
F 5.860380 -2.100609 -0.391865
F 8.183799 -0.482153 -0.301891
F -6.782644 -1.050367 -1.987895
F -4.541093 1.090639 1.762375
O 5.706527 1.937989 0.134721
O 5.513724 0.388590 -2.283089
O -1.551566 -1.133227 -1.671261
O -4.304498 -1.873771 -1.113800
N -0.842031 0.297855 0.071264
N -3.120390 -0.017063 -0.283428
C 3.325017 0.484505 -0.465420
C 5.952479 -0.958957 0.399684
C 2.753324 1.171425 0.618114
C 2.580963 -0.264996 -1.390118
C 7.364318 -0.601191 0.855098
C 0.547688 0.332140 -0.138518
C 1.362013 1.085397 0.765727
C 1.187193 -0.343264 -1.220371
C -1.809895 -0.367588 -0.716552
C -5.579017 -0.061274 -0.122369
C -4.299514 -0.751765 -0.561798
C -6.797237 -0.290103 -0.820920
C -5.711587 0.774060 1.014670
C -8.034836 0.238515 -0.415676
C -6.914723 1.323514 1.472903
C -8.090590 1.042436 0.742246
H 3.371547 1.767319 1.295751
H 3.071420 -0.761970 -2.232764
H 7.370454 0.349384 1.408971
H 0.570118 -0.926125 -1.906428
H -1.161124 0.788107 0.914806
H -3.230400 0.813469 0.305843
H -8.926120 0.019151 -1.008863
H -6.921618 1.947757 2.369643
H -9.047474 1.455706 1.073254


